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<H1 CLASS="title">Isotope list editing</H1>

All isotopes are listed in a binary file: <strong>chemaxon/isotopes.data</strong>. MarvinSketch reads it by startup. It is the 
encoded/compressed version of <strong>isotopes.txt</strong>. The source file (isotopes.txt) can be found in the 
<strong>build</strong> subdirectory of the Marvin package. 
You can add or edit the isotopes by altering isotopes.txt.
To encode source file (isotopes.txt), use <strong>IsotopeCompiler</strong> tool that creates a new copy of isotopes.data from the given source
file.
This tool is bundled with both Marvin Beans and Marvin Applets packages. It is wrapped into <strong>isotopescomp.jar</strong> in the 
<strong>build</strong> subdirectory.

Marvin applets reads the precompiled isotopes list from <em>chemaxon/isotopes.data</em> location from the <em>marvin</em> directory.
MarvinSketch from the Marvin Beans package refers to the same relative path to access the isotopes list. 
But - in this case - the path indicates the location of the file inside <em>MarvinBeans.jar</em> (or jchem.jar by JChem package).
You can find "MarvinBeans.jar" in the <em>lib</em> subdirectory of Marvin Beans package.

<p>
The following values are in the tab-separated columns:
<ul>
<li>Atom number
<li>Number of neutrons
<li>Mass (exact mass of the isotope, preferably at least 5 decimal places)
<li>Abundance (values normalized to the most abundant natural isotope; main isotope - 100.00, artificial isotope - 0)
</ul>

<p>To add a custom isotope:
	<ol>
		<li>Open <em>build/isotopes.txt</em>.</li>
		<li>Edit (or copy) a line next to the other isotopes of the given atom number. Fill in the other data. Save the file.</li>
 		<li>Regenerate <em>isotopes.data</em>: enter into the <em>build</em> directory and type the following command:
			<pre>java -jar isotopescomp.jar isotopes.txt</pre>
			The output will be <em>isotopes.data</em> in the same directory.</li>
		<li>Refresh <em>isotopes.data</em>:
			<ul>
				<li><strong>Marvin Applets</strong>: Overwrite old <em>isotopes.data</em> with the new one in the <em>chemaxon</em> subdirectory of the
				Marvin Beans package.</li>
				<li><strong>Marvin Beans</strong>: overwrite <em>chemaxon/isotopes.data</em> inside the <em>MarvinBeans.jar</em> (or jchem.jar by JChem package).
				MarvinBeans.jar is actually a compressed archive file that you can extract/pack with any zip (un)compressor
				tool. Consult with the manual of your (un)compressor tool how to update certain file in an existing zip file.</li>
			</ul>
		</li>
	</ol>
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